#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124685.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4124685
loop_
_publ_author_name
'Tallman, R.L.'
'Margrave, J.L.'
'Bailey, S.W.'
_publ_section_title
;
 The crystal structure of sodium peroxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2979
_journal_page_last               2980
_journal_volume                  79
_journal_year                    1957
_chemical_formula_sum            'Na2 O2'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.22
_cell_length_b                   6.22
_cell_length_c                   4.47
_cell_volume                     149.768
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Tallman_JACSAT_1957_1430.cif
_cod_data_source_block           Na2O2
_cod_original_cell_volume        149.7679
_cod_database_code               4124685
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na2 Na+1 0.366 0 0 1 0.0
O1 O-1 0 0 0.167 1 0.0
Na1 Na+1 0.724 0 0.5 1 0.0
O2 O-1 0.3333 0.6667 0.333 1 0.0
